N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine

C15H25NO — CID 123418391

IUPACN-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine
SMILESC1=C2C(CCC1)CCCC2NC1CCOCC1
InChIInChI=1S/C15H25NO/c1-2-6-14-12(4-1)5-3-7-15(14)16-13-8-10-17-11-9-13/h6,12-13,15-16H,1-5,7-11H2
InChIKeyRXVSLCVAJXZDSA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.03
Rot. Bonds2

About N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine

N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine (PubChem CID 123418391) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine
PubChem CID123418391
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine
SMILESC1=C2C(CCC1)CCCC2NC1CCOCC1
InChIInChI=1S/C15H25NO/c1-2-6-14-12(4-1)5-3-7-15(14)16-13-8-10-17-11-9-13/h6,12-13,15-16H,1-5,7-11H2
InChIKeyRXVSLCVAJXZDSA-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine with MolForge

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Related Compounds

N-(3-tert-butylcyclohex-2-en-1-yl)oxan-4-amine
CID 177265635
N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine
CID 177317433
N-[2-(cyclohex-1-en-1-yl)ethyl]oxan-4-amine
CID 43608459
N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
CID 43609615
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62387139
N-[cyclohexen-1-yl(oxan-4-yl)methyl]ethanamine
CID 62907585
N-[cyclohexen-1-yl(oxan-3-yl)methyl]ethanamine
CID 63014167
2-(cyclohexen-1-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 63737528
N-[2-(cyclohexen-1-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894821
N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895896

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine (CID 123418391) is N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine is C1=C2C(CCC1)CCCC2NC1CCOCC1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine?
The InChIKey is RXVSLCVAJXZDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-6-14-12(4-1)5-3-7-15(14)16-13-8-10-17-11-9-13/h6,12-13,15-16H,1-5,7-11H2.
What are the key properties of N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine?
N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine is sourced from PubChem (CID 123418391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).